(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol

C18H17NO — CID 100804217

IUPAC(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc([C@H](O)c2cccc3ccccc23)cc1N
InChIInChI=1S/C18H17NO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m0/s1
InChIKeyWLOMIJZLPQCKFT-SFHVURJKSA-N
MW263.34 g/mol
LogP3.81
Rot. Bonds2

About (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol

(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol (PubChem CID 100804217) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
PubChem CID100804217
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol
SMILESCc1ccc([C@H](O)c2cccc3ccccc23)cc1N
InChIInChI=1S/C18H17NO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m0/s1
InChIKeyWLOMIJZLPQCKFT-SFHVURJKSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 91678603
(S)-(3-amino-2-methylphenyl)-naphthalen-1-ylmethanol
CID 100804210
(R)-(4-amino-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanol
CID 100804222
(R)-(3-amino-4-methylphenyl)-(3,4-dimethylphenyl)methanol
CID 100804028
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(S)-(3-amino-4-methylphenyl)-(4-phenylphenyl)methanol
CID 100804158
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(S)-(4-chlorophenyl)-naphthalen-1-ylmethanol
CID 93489560
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816

Frequently Asked Questions

What is the IUPAC name of (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol (CID 100804217) is (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol is Cc1ccc([C@H](O)c2cccc3ccccc23)cc1N.
What is the InChIKey of (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol?
The InChIKey is WLOMIJZLPQCKFT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-9-10-14(11-17(12)19)18(20)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,20H,19H2,1H3/t18-/m0/s1.
What are the key properties of (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol?
(S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol has a molecular weight of 263.34 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-amino-4-methylphenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 100804217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).